SCHEMBL23645290

SCHEMBL23645290

O=c1[nH]c2c(c(=O)[nH]1)CCC1(CCCc3ccccc31)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 12/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MTOR P42345 1/20 0.38
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23645294 0.93 ALDH1A1 (0.39) AKR1B1ALDH1A1MAPTSIGMAR1TP53
SCHEMBL23645291 0.84 KDM1A (0.39) AKR1B1ALDH1A1MAPTSLC6A5
SCHEMBL23644311 0.81 SLC6A5 (0.34) ALDH1A1MAPTSLC6A5
SCHEMBL30291229 0.81 SLC6A5 (0.34) ALDH1A1MAPTSLC6A5
SCHEMBL23630258 0.78 KDM1A (0.40) ALDH1A1MAPTSLC6A5
SCHEMBL23685984 0.77 ALDH1A1 (0.38) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL23668852 0.76 TYMS (0.43) AKR1B1ALDH1A1SIGMAR1
SCHEMBL23686071 0.75 SIGMAR1 (0.40) AKR1B1ALDH1A1MAPTSIGMAR1TSHR
SCHEMBL24483751 0.73 MEN1 (0.39) AKR1B1MAPTSIGMAR1TP53CYP1A2
SCHEMBL30067618 0.73 MEN1 (0.39) AKR1B1MAPTSIGMAR1TP53CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES KRAS, NRAS, HRAS AKR1B1 651/4885ALDH1A1 349/4885MAPT 4687/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS AKR1B1 651/4885ALDH1A1 349/4885MAPT 4687/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.